SCHEMBL3072859

SCHEMBL3072859

COCCCC(OC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(O)cc1)c1ccc2c(c1)NC(=O)CC2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 4/20 0.38
CRBN Q96SW2 4/20 0.38
SMYD3 Q9H7B4 2/20 0.34
ESR2 Q92731 1/20 0.34
GPR119 Q8TDV5 3/20 0.34
TACR1 P25103 1/20 0.34
PDE4B Q07343 1/20 0.33
DRD2 P14416 5/20 0.32
DRD3 P35462 5/20 0.32
DRD4 P21917 4/20 0.32
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3071126 0.91 SMYD3 (0.36) CRBNSMYD3DRD2DRD3DRD4
SCHEMBL3071261 0.90 DDB1 (0.36) DDB1CRBNGPR119DRD2DRD3
SCHEMBL3061202 0.90 DDB1 (0.34) DDB1CRBNGPR119DRD2DRD3
SCHEMBL3081520 0.90 DDB1 (0.36) DDB1CRBNGPR119DRD2DRD3
SCHEMBL3074136 0.88 MAOA (0.38) SMYD3PDE4BDRD2DRD3DRD4
SCHEMBL3417423 0.88 DRD2 (0.42) PDE4BDRD2DRD3DRD4
SCHEMBL3082083 0.88 DRD2 (0.37) DDB1CRBNPDE4BDRD2DRD3
SCHEMBL3065748 0.87 DRD2 (0.39) PDE4BDRD2DRD3DRD4
SCHEMBL3259421 0.87 DRD2 (0.41) PDE4BDRD2DRD3DRD4
SCHEMBL3080987 0.87 DRD2 (0.39) TACR1DRD2DRD3DRD4MAOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090012055-A1 Organic compounds REN, ACE, ACE2 DDB1 3611/4885CRBN 3463/4885SMYD3 4104/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 DDB1 3611/4885CRBN 3463/4885SMYD3 4104/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.